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SMILES: O=C(n1c(B(O)O)cc2c1cc(Br)cc2)OC(C)(C)C Canonical SMILES: Brc1ccc2c(c1)n(C(=O)OC(C)(C)C)c(c2)B(O)O InChI: InChI=1S/C13H15BBrNO4/c1-13(2,3)20-12(17)16-10-7-9(15)5-4-8(10)6-11(16)14(18)19/h4-7,18-19H,1-3H3 InChIKey: RMYFCWUHNRAJJC-UHFFFAOYSA-N
CBID:290695 http://www.chembase.cn/molecule-290695.html